1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine

C15H19F4N — CID 79660160

IUPAC1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESNC(c1ccc(C2CCCCC2)cc1)C(F)(F)C(F)F
InChIInChI=1S/C15H19F4N/c16-14(17)15(18,19)13(20)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13-14H,1-5,20H2
InChIKeyIDTHGWWFMZCETO-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.63
Rot. Bonds4

About 1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine

1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 79660160) has the molecular formula C15H19F4N and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID79660160
Molecular FormulaC15H19F4N
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESNC(c1ccc(C2CCCCC2)cc1)C(F)(F)C(F)F
InChIInChI=1S/C15H19F4N/c16-14(17)15(18,19)13(20)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13-14H,1-5,20H2
InChIKeyIDTHGWWFMZCETO-UHFFFAOYSA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075
1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene
CID 23236608
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
CID 66512949
2-amino-2-(4-cyclohexylphenyl)acetamide
CID 116850743
1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
CID 116933539
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
(4-cyclohexylphenyl)-(2-fluorophenyl)methanamine
CID 43093339
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
1-(4-cyclohexylphenyl)butane-1,4-diamine
CID 116933691

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of 1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine (CID 79660160) is 1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine is NC(c1ccc(C2CCCCC2)cc1)C(F)(F)C(F)F.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is IDTHGWWFMZCETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N/c16-14(17)15(18,19)13(20)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13-14H,1-5,20H2.
What are the key properties of 1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine?
1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 289.32 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 79660160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).